4-(5-methyltetrazol-5-yl)-N,N-dipropylbutanamide

C12H23N5O — CID 70576621

IUPAC4-(5-methyltetrazol-5-yl)-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)CCCC1(C)N=NN=N1
InChIInChI=1S/C12H23N5O/c1-4-9-17(10-5-2)11(18)7-6-8-12(3)13-15-16-14-12/h4-10H2,1-3H3
InChIKeyVYAALLQFEQLWAY-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.35
Rot. Bonds8

About 4-(5-methyltetrazol-5-yl)-N,N-dipropylbutanamide

4-(5-methyltetrazol-5-yl)-N,N-dipropylbutanamide (PubChem CID 70576621) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(5-methyltetrazol-5-yl)-N,N-dipropylbutanamide.

Molecular Properties

Compound Name4-(5-methyltetrazol-5-yl)-N,N-dipropylbutanamide
PubChem CID70576621
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name4-(5-methyltetrazol-5-yl)-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)CCCC1(C)N=NN=N1
InChIInChI=1S/C12H23N5O/c1-4-9-17(10-5-2)11(18)7-6-8-12(3)13-15-16-14-12/h4-10H2,1-3H3
InChIKeyVYAALLQFEQLWAY-UHFFFAOYSA-N
XLogP3.35
TPSA69.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dipropylnonadecanamide
CID 12960009
4-amino-N,N-dipropylbutanamide
CID 12835718
3-[butyl(methyl)amino]-N,N-dipropylpropanamide
CID 109032448
N,N-di(undecyl)pentanamide
CID 532896
N,N-di(nonyl)octanamide
CID 533141
3-[acetyl(propyl)amino]-N,N-dipropylpropanamide
CID 113114998
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
N-(3-aminopropyl)-N-propylnonanamide
CID 65448334
N-[2-(dimethylamino)ethyl]-5-hydroxy-N-propylpentanamide
CID 79209171
N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide
CID 112729251
N,N-bis(hydroxymethyl)pentanamide
CID 88793497

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyltetrazol-5-yl)-N,N-dipropylbutanamide?
The IUPAC name of 4-(5-methyltetrazol-5-yl)-N,N-dipropylbutanamide (CID 70576621) is 4-(5-methyltetrazol-5-yl)-N,N-dipropylbutanamide.
What is the SMILES notation for 4-(5-methyltetrazol-5-yl)-N,N-dipropylbutanamide?
The canonical SMILES for 4-(5-methyltetrazol-5-yl)-N,N-dipropylbutanamide is CCCN(CCC)C(=O)CCCC1(C)N=NN=N1.
What is the InChIKey of 4-(5-methyltetrazol-5-yl)-N,N-dipropylbutanamide?
The InChIKey is VYAALLQFEQLWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-9-17(10-5-2)11(18)7-6-8-12(3)13-15-16-14-12/h4-10H2,1-3H3.
What are the key properties of 4-(5-methyltetrazol-5-yl)-N,N-dipropylbutanamide?
4-(5-methyltetrazol-5-yl)-N,N-dipropylbutanamide has a molecular weight of 253.35 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyltetrazol-5-yl)-N,N-dipropylbutanamide is sourced from PubChem (CID 70576621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).